Chemical ID: 5010903

C(CCNC(=O)C=CC(=O)O)CNC(=O)C=CC(=O)O
Chemical ID:
5010903
Name [?]:
4-[4-(3-carboxyprop-2-enoylamino)butylamino]-4-oxo-but-2-enoic acid
SMILES [?]:
C(CCNC(=O)C=CC(=O)O)CNC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C12H16N2O6/c15-9(3-5-11(17)18)13-7-1-2-8-14-10(16)4-6-12(19)20/h3-6H,1-2,7-8H2,(H,13,15)(H,14,16)(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,16,7,17,8,12,3,14,5,18,9,13,4,15,6,19,20,10,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18,19,20)/gE:(1,2)(3,4)/rA:20nCCCNCOCCCOOCNCOCCCOO/rB:s1;s2;s3;s4;d5;s5;w7;s8;d9;s9;s1;s12;s13;d14;s14;w16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O6
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.28102
Area:514.877
Solvation:-6.59091
Coulombic:-91.4827
Bond Count [?]
All:19
Single:13
Double:6
Rotors:11
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:284.265
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:-0.75
LogP (Chemaxon):-0.83

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